Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001927

Phytochemical name: Acetal

Synonymous chemical names:
diethyl acetal*, acetal, 1-1-diethoxy-ethane, 1,1-diethoxyethane, 1,1-diethoxy-ethane, acetaldehyde diethyl acetal

External chemical identifiers:
CID:CID_7765, ChEMBL:CHEMBL1338583, ZINC:ZINC000000404268, FDASRS:5G14F9E2HB, SureChEMBL:SCHEMBL9459, MolPort-001-779-696

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Chemical structure information

SMILES:
CCOC(OCC)C

InChI:
InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3

InChIKey:
DHKHKXVYLBGOIT-UHFFFAOYSA-N

DeepSMILES:
CCOCOCC)))C

Functional groups:
COC(C)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.293

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Chemical structure download